[(2E)-2-ethenylpenta-2,4-dienyl] N-piperidin-4-ylcarbamate

C13H20N2O2 — CID 142289530

IUPAC[(2E)-2-ethenylpenta-2,4-dienyl] N-piperidin-4-ylcarbamate
SMILESC=C/C=C(\C=C)COC(=O)NC1CCNCC1
InChIInChI=1S/C13H20N2O2/c1-3-5-11(4-2)10-17-13(16)15-12-6-8-14-9-7-12/h3-5,12,14H,1-2,6-10H2,(H,15,16)/b11-5+
InChIKeyHAHNRBFIGDRCDN-VZUCSPMQSA-N
MW236.31 g/mol
LogP1.76
Rot. Bonds5

About [(2E)-2-ethenylpenta-2,4-dienyl] N-piperidin-4-ylcarbamate

[(2E)-2-ethenylpenta-2,4-dienyl] N-piperidin-4-ylcarbamate (PubChem CID 142289530) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is [(2E)-2-ethenylpenta-2,4-dienyl] N-piperidin-4-ylcarbamate.

Molecular Properties

Compound Name[(2E)-2-ethenylpenta-2,4-dienyl] N-piperidin-4-ylcarbamate
PubChem CID142289530
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name[(2E)-2-ethenylpenta-2,4-dienyl] N-piperidin-4-ylcarbamate
SMILESC=C/C=C(\C=C)COC(=O)NC1CCNCC1
InChIInChI=1S/C13H20N2O2/c1-3-5-11(4-2)10-17-13(16)15-12-6-8-14-9-7-12/h3-5,12,14H,1-2,6-10H2,(H,15,16)/b11-5+
InChIKeyHAHNRBFIGDRCDN-VZUCSPMQSA-N
XLogP1.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2E)-2-ethenylpenta-2,4-dienyl] N-piperidin-4-ylcarbamate?
The IUPAC name of [(2E)-2-ethenylpenta-2,4-dienyl] N-piperidin-4-ylcarbamate (CID 142289530) is [(2E)-2-ethenylpenta-2,4-dienyl] N-piperidin-4-ylcarbamate.
What is the SMILES notation for [(2E)-2-ethenylpenta-2,4-dienyl] N-piperidin-4-ylcarbamate?
The canonical SMILES for [(2E)-2-ethenylpenta-2,4-dienyl] N-piperidin-4-ylcarbamate is C=C/C=C(\C=C)COC(=O)NC1CCNCC1.
What is the InChIKey of [(2E)-2-ethenylpenta-2,4-dienyl] N-piperidin-4-ylcarbamate?
The InChIKey is HAHNRBFIGDRCDN-VZUCSPMQSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-5-11(4-2)10-17-13(16)15-12-6-8-14-9-7-12/h3-5,12,14H,1-2,6-10H2,(H,15,16)/b11-5+.
What are the key properties of [(2E)-2-ethenylpenta-2,4-dienyl] N-piperidin-4-ylcarbamate?
[(2E)-2-ethenylpenta-2,4-dienyl] N-piperidin-4-ylcarbamate has a molecular weight of 236.31 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-ethenylpenta-2,4-dienyl] N-piperidin-4-ylcarbamate is sourced from PubChem (CID 142289530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).